ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.
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chemcpp 1.0.2 file released: chemcpp_1.0.2.tar.gz
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File released: /chemcpp/1.0.2/chemcpp_1.0.2.tar.gz
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Tracker artifact added
Anonymous created the error in reading partial charge file artifact -
chemcpp 1.0.1 file released: chemcpp_1.0.1.tar.gz
changes: -modification of method MoleculeSet::diversityBaryMean() used by "gram2diversity" tool. --> fixed a bug.
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File released: /chemcpp/1.0.1/chemcpp_1.0.1.tar.gz
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chemcpp 1.0 file released: chemcpp_1.0.tar.gz
1st public release - March 2006, 22nd - PM-JLP.
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File released: /chemcpp/1.0/chemcpp_1.0.tar.gz
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Code committed
Anonymous committed patchset 1 of module CVSROOT to the ChemCpp software CVS repository, changing 11 files -
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